Information card for entry 1513483
| Formula |
C28 H28 N2 O2 |
| Calculated formula |
C28 H28 N2 O2 |
| SMILES |
O=C(OC(C)(C)C)[C@]1(c2c3ccccc3[nH]c2[C@H](NC1)c1ccccc1)c1ccccc1 |
| Title of publication |
Asymmetric Friedel-Crafts Alkylation of α-Substituted β-Nitroacrylates: Access to β(2,2)-Amino Acids Bearing Indolic All-Carbon Quaternary Stereocenters |
| Authors of publication |
Weng, Jian-Quan; Deng, Qiao-Man; Wu, Liang; Xu, Kai; Wu, Hao; Liu, Ren-Rong; Gao, Jian-Rong; Jia, Yi-Xia |
| Journal of publication |
Organic Letters |
| Year of publication |
2014 |
| Journal volume |
16 |
| Journal issue |
3 |
| Pages of publication |
776 - 779 |
| a |
9.3592 ± 0.0004 Å |
| b |
9.858 ± 0.0007 Å |
| c |
13.1796 ± 0.0007 Å |
| α |
86.612 ± 0.005° |
| β |
87.077 ± 0.004° |
| γ |
84.894 ± 0.004° |
| Cell volume |
1207.77 ± 0.12 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
1 |
| Hermann-Mauguin space group symbol |
P 1 |
| Hall space group symbol |
P 1 |
| Residual factor for all reflections |
0.0708 |
| Residual factor for significantly intense reflections |
0.049 |
| Weighted residual factors for significantly intense reflections |
0.1064 |
| Weighted residual factors for all reflections included in the refinement |
0.1199 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.019 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1513483.html
